N-[2-[(2,4-dimethoxy-3-methylphenyl)sulfonylamino]ethyl]acetamide

C13H20N2O5S — CID 110758714

IUPACN-[2-[(2,4-dimethoxy-3-methylphenyl)sulfonylamino]ethyl]acetamide
SMILESCOc1ccc(S(=O)(=O)NCCNC(C)=O)c(OC)c1C
InChIInChI=1S/C13H20N2O5S/c1-9-11(19-3)5-6-12(13(9)20-4)21(17,18)15-8-7-14-10(2)16/h5-6,15H,7-8H2,1-4H3,(H,14,16)
InChIKeyXFLLBJOJAUYVDU-UHFFFAOYSA-N
MW316.38 g/mol
LogP0.43
Rot. Bonds7

About N-[2-[(2,4-dimethoxy-3-methylphenyl)sulfonylamino]ethyl]acetamide

N-[2-[(2,4-dimethoxy-3-methylphenyl)sulfonylamino]ethyl]acetamide (PubChem CID 110758714) has the molecular formula C13H20N2O5S and a molecular weight of 316.38 g/mol. Its IUPAC name is N-[2-[(2,4-dimethoxy-3-methylphenyl)sulfonylamino]ethyl]acetamide.

Molecular Properties

Compound NameN-[2-[(2,4-dimethoxy-3-methylphenyl)sulfonylamino]ethyl]acetamide
PubChem CID110758714
Molecular FormulaC13H20N2O5S
Molecular Weight316.38 g/mol
Exact Mass316.11
IUPAC NameN-[2-[(2,4-dimethoxy-3-methylphenyl)sulfonylamino]ethyl]acetamide
SMILESCOc1ccc(S(=O)(=O)NCCNC(C)=O)c(OC)c1C
InChIInChI=1S/C13H20N2O5S/c1-9-11(19-3)5-6-12(13(9)20-4)21(17,18)15-8-7-14-10(2)16/h5-6,15H,7-8H2,1-4H3,(H,14,16)
InChIKeyXFLLBJOJAUYVDU-UHFFFAOYSA-N
XLogP0.43
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.38
LogP ≤ 50.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[2-[(4,5-dimethoxy-2-methylphenyl)sulfonylamino]ethyl]acetamide
CID 35304540
2,4-dimethoxy-3-methyl-N-(2-thiophen-2-ylethyl)benzenesulfonamide
CID 110758706
N-[4-[(2-methoxy-5-methylphenyl)sulfonylamino]butyl]acetamide
CID 110358600
N-[2-[(3-bromo-4-methoxyphenyl)sulfonylamino]ethyl]acetamide
CID 31391788
N-(2-acetamidoethyl)-4-methoxy-2,3-dimethylbenzamide
CID 110763188
N-[4-[(2-methoxy-5-methylsulfonylphenyl)sulfonylamino]butyl]acetamide
CID 110356844
N-[2-[(2,4-dimethylphenyl)sulfonylamino]ethyl]acetamide
CID 31391784
N-[2-(dimethylamino)ethyl]-4-methoxy-2,3-dimethylbenzenesulfonamide
CID 95969876
N-[2-[(2-chloro-4-methylphenyl)sulfonylamino]ethyl]acetamide
CID 32675868
3-(2-acetamidoethylsulfamoyl)-2-methylbenzoic acid
CID 63742484
N-[2-[(3-chloro-2-methylphenyl)sulfonylamino]ethyl]acetamide
CID 39621833
N-[2-[(2,4-dimethylphenyl)sulfonylamino]ethyl]-3,4,5-trimethoxybenzamide
CID 108570759

Frequently Asked Questions

What is the IUPAC name of N-[2-[(2,4-dimethoxy-3-methylphenyl)sulfonylamino]ethyl]acetamide?
The IUPAC name of N-[2-[(2,4-dimethoxy-3-methylphenyl)sulfonylamino]ethyl]acetamide (CID 110758714) is N-[2-[(2,4-dimethoxy-3-methylphenyl)sulfonylamino]ethyl]acetamide.
What is the SMILES notation for N-[2-[(2,4-dimethoxy-3-methylphenyl)sulfonylamino]ethyl]acetamide?
The canonical SMILES for N-[2-[(2,4-dimethoxy-3-methylphenyl)sulfonylamino]ethyl]acetamide is COc1ccc(S(=O)(=O)NCCNC(C)=O)c(OC)c1C.
What is the InChIKey of N-[2-[(2,4-dimethoxy-3-methylphenyl)sulfonylamino]ethyl]acetamide?
The InChIKey is XFLLBJOJAUYVDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O5S/c1-9-11(19-3)5-6-12(13(9)20-4)21(17,18)15-8-7-14-10(2)16/h5-6,15H,7-8H2,1-4H3,(H,14,16).
What are the key properties of N-[2-[(2,4-dimethoxy-3-methylphenyl)sulfonylamino]ethyl]acetamide?
N-[2-[(2,4-dimethoxy-3-methylphenyl)sulfonylamino]ethyl]acetamide has a molecular weight of 316.38 g/mol, XLogP of 0.43, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2,4-dimethoxy-3-methylphenyl)sulfonylamino]ethyl]acetamide is sourced from PubChem (CID 110758714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).